SCHEMBL3782912

SCHEMBL3782912

Cc1nc(NC(=O)OCC(Cl)(Cl)Cl)sc1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
APEX1 P27695 1/20 0.40
LCK P06239 5/20 0.40
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3190628 0.75 MEN1 (0.56) KMT2AALDH1A1MEN1HTTNPC1
SCHEMBL14960416 0.75 KMT2A (0.59) KMT2AALDH1A1MEN1APEX1LCK
SCHEMBL13015630 0.73 KMT2A (0.58) KMT2AALDH1A1MEN1HTTAPEX1
SCHEMBL3188023 0.73 ATAD2 (0.51) KMT2AALDH1A1MEN1HTTTSHR
SCHEMBL3197114 0.73 CCNE1 (0.41) KMT2ASMN1; SMN2
SCHEMBL7278026 0.72 MAPT (0.50) ALDH1A1NPC1GAARAB9ASMN1; SMN2
SCHEMBL2753548 0.70 RAB9A (0.57) KMT2AALDH1A1MEN1LCKNPC1
SCHEMBL11420377 0.69 GCK (0.46) KMT2AALDH1A1MEN1HTTTSHR
SCHEMBL3766107 0.69 NPC1 (0.70) KMT2AALDH1A1MEN1HTTNPC1
SCHEMBL9074005 0.69 GCK (0.35) KMT2AALDH1A1MEN1HTTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS DU, XIAOMIN (CN) 2010-11-25 US disclosed
US-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS DU, XIAOMIN (CN) 2010-11-25 US disclosed
US-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS DU, XIAOMIN (CN) 2010-11-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS MAP3K6, MAP3K20, MAP3K5 KMT2A 1064/4885ALDH1A1 3089/4885MEN1 1690/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.